SCHEMBL7600469

SCHEMBL7600469

COc1cccc([C@@H](C)N(C(=O)C(c2ccccc2)c2ccccc2)[C@H](CCCNC(=O)OCc2ccccc2)C(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.46
FOLH1 Q04609 3/20 0.43
PSMB5 P28074 1/20 0.42
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A1 P43005 1/20 0.39
EPOR P19235 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7600355 0.92 CA1 (0.45) FOLH1HTTSLC1A3SLC1A1
SCHEMBL7597929 0.92 CA1 (0.45) FOLH1HTTSLC1A3SLC1A1
SCHEMBL7597839 0.91 FOLH1 (0.49) FOLH1HTTSLC1A3SLC1A1
SCHEMBL7595812 0.91 FOLH1 (0.49) FOLH1HTTSLC1A3SLC1A1
SCHEMBL7600882 0.90 TRPM8 (0.41) TRPM8FOLH1PSMB5MTNR1AMTNR1B
SCHEMBL7600868 0.90 FOLH1 (0.45) FOLH1PSMB5HTTSLC1A3SLC1A1
SCHEMBL7600890 0.89 FOLH1 (0.43) FOLH1HTTSLC1A3SLC1A1
SCHEMBL7597117 0.88 FOLH1 (0.46) FOLH1HTTSLC1A3SLC1A1
SCHEMBL7595116 0.88 FOLH1 (0.46) FOLH1HTTSLC1A3SLC1A1
SCHEMBL7598385 0.88 TRPM8 (0.44) TRPM8FOLH1PSMB5MTNR1AMTNR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017672-B1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2002-11-27 EP disclosed